3057-1614 Screening compound: pentyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

3057-1614 Screening compound: pentyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
3057-1614 Screening compound: pentyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-1614
pentyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3057-1614

Molecular Formula

C14H17NO2S2 (C14 H17 NO2 S2)

Compound Name

pentyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

IUPAC name

pentyl 2-(13-benzothiazol-2-ylsulfanyl)acetate

SMILES

CCCCCOC(CSc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C14H17NO2S2/c1-2-3-6-9-17-13(16)10-18-14-15-11-7-4-5-8-12(11)19-14/h4-5,7-8H,2-3,6,9-10H2,1H3

InChI Key

RNKLZQWBJDUXSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.59

Polar Surface Area

29.773

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3057-1614 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3057-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-1614?
Check Price and Availability of 3057-1614, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3057-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-1614
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3057-1614 available by request